Chemical ID: 4692489

CC(C)(CCl)C(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl
Chemical ID:
4692489
Name [?]:
N-(2-benzoyl-4-chloro-phenyl)-3-chloro-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(CCl)C(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl
InChi [?]:
InChI=1/C18H17Cl2NO2/c1-18(2,11-19)17(23)21-15-9-8-13(20)10-14(15)16(22)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,20,19,21,18,22,11,10,13,4,17,12,14,9,15,6,2,5,23,8,16,7/E:(1,2)(4,5)(6,7)/rA:23nCCCCClCONCCCCCCCOCCCCCCCl/rB:s1;s2;s2;s4;s2;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17Cl2NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.1165
Area:538.605
Solvation:-2.34861
Coulombic:-32.5503
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:350.239
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.97
LogP (Chemaxon):5.76

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Descriptor Annotations

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